Molecule

ID:13455

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
AVZSMACEWPTTTE-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CC(=O)O
Isomeric Smiles
N1(CC(=O)O)CCC(CC1)C
Calculated Properties
JChem
Acid pKa
1.9755135
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9247236
LogD (pH = 7.4)
-1.9251912
Log P
-1.9246657
Molar Refractivity
42.7633
Polarizability
16.785397
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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